2-[5-(5-fluoro-1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid

C14H16FN3O2 — CID 142796714

IUPAC2-[5-(5-fluoro-1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid
SMILESCCCC(C(=O)O)c1cncc(-c2cnn(C)c2F)c1
InChIInChI=1S/C14H16FN3O2/c1-3-4-11(14(19)20)9-5-10(7-16-6-9)12-8-17-18(2)13(12)15/h5-8,11H,3-4H2,1-2H3,(H,19,20)
InChIKeyBGDQFCFLEWCAIF-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.59
Rot. Bonds5

About 2-[5-(5-fluoro-1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid

2-[5-(5-fluoro-1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid (PubChem CID 142796714) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[5-(5-fluoro-1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid.

Molecular Properties

Compound Name2-[5-(5-fluoro-1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid
PubChem CID142796714
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name2-[5-(5-fluoro-1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid
SMILESCCCC(C(=O)O)c1cncc(-c2cnn(C)c2F)c1
InChIInChI=1S/C14H16FN3O2/c1-3-4-11(14(19)20)9-5-10(7-16-6-9)12-8-17-18(2)13(12)15/h5-8,11H,3-4H2,1-2H3,(H,19,20)
InChIKeyBGDQFCFLEWCAIF-UHFFFAOYSA-N
XLogP2.59
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-fluoro-1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid?
The IUPAC name of 2-[5-(5-fluoro-1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid (CID 142796714) is 2-[5-(5-fluoro-1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid.
What is the SMILES notation for 2-[5-(5-fluoro-1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid?
The canonical SMILES for 2-[5-(5-fluoro-1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid is CCCC(C(=O)O)c1cncc(-c2cnn(C)c2F)c1.
What is the InChIKey of 2-[5-(5-fluoro-1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid?
The InChIKey is BGDQFCFLEWCAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-3-4-11(14(19)20)9-5-10(7-16-6-9)12-8-17-18(2)13(12)15/h5-8,11H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 2-[5-(5-fluoro-1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid?
2-[5-(5-fluoro-1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid has a molecular weight of 277.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-fluoro-1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid is sourced from PubChem (CID 142796714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).